SCHEMBL5604415

SCHEMBL5604415

Cc1c[c]nc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.48
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MET P08581 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL352791 0.81 KMT2A (0.51) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL1707681 0.76 KMT2A (0.79) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL27892245 0.72 KMT2A (0.46) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL11112188 0.71 HTT (0.48) KMT2AALDH1A1NPSR1LMNAMAPK1
SCHEMBL11851842 0.70 KMT2A (0.70) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL13033008 0.70 KMT2A (0.56) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL13326955 0.70 KMT2A (1.00) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL4781313 0.70 KMT2A (0.51) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL10278900 0.69 KMT2A (0.68) KMT2AALDH1A1NPSR1HRH4LMNA
SCHEMBL11898909 0.69 KMT2A (0.68) KMT2AALDH1A1NPSR1HRH4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651234-B1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 — — EP disclosed
US-7235547-B2 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. (US) 2007-06-26 — — US disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 — — EP disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 — — US disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 KMT2A 229/4885ALDH1A1 2923/4885NPSR1 891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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